3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one

C12H14N2O3 — CID 116955912

IUPAC3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
SMILESCNC(C(C)=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H14N2O3/c1-7(15)11(13-2)8-4-5-10-9(6-8)14(3)12(16)17-10/h4-6,11,13H,1-3H3
InChIKeyHAFHYODLIZGKIZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.98
Rot. Bonds3

About 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one

3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 116955912) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID116955912
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
SMILESCNC(C(C)=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H14N2O3/c1-7(15)11(13-2)8-4-5-10-9(6-8)14(3)12(16)17-10/h4-6,11,13H,1-3H3
InChIKeyHAFHYODLIZGKIZ-UHFFFAOYSA-N
XLogP0.98
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
CID 116961355
5-[2-hydroxy-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116859488
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116964078
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952
3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
CID 82500900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one (CID 116955912) is 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one is CNC(C(C)=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is HAFHYODLIZGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(15)11(13-2)8-4-5-10-9(6-8)14(3)12(16)17-10/h4-6,11,13H,1-3H3.
What are the key properties of 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one?
3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 116955912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).